Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD2 | P25440 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19280241 | 0.75 | BRD2 (0.45) | BRD2ALDH1A1HSD11B1MGLLALOX5 | |
| SCHEMBL14339392 | 0.73 | ALDH1A1 (0.46) | BRD2ALDH1A1HSD11B1MGLLALOX5 | |
| SCHEMBL28847051 | 0.70 | MEN1 (0.53) | BRD2ALDH1A1HSD11B1ALOX5L3MBTL1 | |
| SCHEMBL19280531 | 0.69 | HDAC1 (0.45) | BRD2ALDH1A1HSD11B1 | |
| SCHEMBL12543536 | 0.67 | HSD11B1 (0.36) | ALDH1A1HSD11B1MEN1KMT2A | |
| SCHEMBL17870929 | 0.66 | ALDH1A1 (0.54) | ALDH1A1HSD11B1MGLLALOX5ATM | |
| SCHEMBL18485726 | 0.65 | BRD2 (0.61) | BRD2ALDH1A1HSD11B1ALOX5DHFR | |
| SCHEMBL21020694 | 0.65 | ALDH1A1 (0.42) | BRD2ALDH1A1HSD11B1MGLLALOX5 | |
| SCHEMBL18485728 | 0.64 | BRD2 (0.54) | BRD2ALDH1A1HSD11B1MGLLALOX5 | |
| SCHEMBL27574161 | 0.64 | ALDH1A1 (0.41) | ALDH1A1HSD11B1MGLLALOX5ATM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3209664-B1 | BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-06-03 | — | — | EP | disclosed |